64703-98-6 (1-O-β-D-吡喃葡萄糖基-4-烯丙基苯,1-O-beta-D-glucopyranosyl-4-allylbenzene)

CAS号:
64703-98-6
中文名称:
1-O-β-D-吡喃葡萄糖基-4-烯丙基苯
英文名称:
1-O-beta-D-glucopyranosyl-4-allylbenzene
分子式:
C15H20O6
分子量:
296.315705299377

1-O-β-D-吡喃葡萄糖基-4-烯丙基苯(64703-98-6)名称与标识符

名称

英文别名:
1-O-beta-D-glucopyranosyl-4-allylbenzene;chavicol beta-D-glucopyranoside;chavicol beta-D-glucoside;Chavicol β-D-glucoside;p-allylphenyl beta-D-glucopyranoside;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-prop-2-enylphenoxy)oxane-3,4,5-triol;.BETA.-D-GLUCOPYRANOSIDE, 4-(2-PROPEN-1-YL)PHENYL;CHEMBL179783;beta-D-Glucopyranoside, 4-(2-propen-1-yl)phenyl;HY-N12095;A-D-glucoside;DTXSID00215036;chavicol-4-o-b-D-glucopyranoside;Q27259529;.BETA.-D-GLUCOPYRANOSIDE, 4-(2-PROPENYL)PHENYL;Compound NP-022501;4FNB38KJGB;4-(2-PROPENYL)PHENYL-.BETA.-D-GLUCOPYRANOSIDE;FEMA No. 4548;2-(hydroxymethyl)-6-[4-(prop-2-en-1-yl)phenoxy]oxane-3,4,5-triol;UNII-4FNB38KJGB;SCHEMBL5027443;AKOS040737696;P-ALLYLPHENYL .BETA.-D-GLUCOPYRANOSIDE;4-ALLYLPHENYL .BETA.-D-GLUCOPYRANOSIDE;64703-98-6;CS-0891669;Chavicol ;4-(2-Propenyl)phenyl-beta-d-glucopyranoside;CHAVICOL .BETA.-D-GLUCOSIDE;beta-D-Glucopyranoside, 4-(2-propenyl)phenyl;O-b-Glucopyranoside;Chavicol O-beta-glucopyranoside;4-(2-Propenyl)phenol, 9CI;SCHEMBL14075611;CHEBI:174822;2-(hydroxymethyl)-6-(4-prop-2-enylphenoxy)oxane-3,4,5-triol;DA-49646;G88988;(2S,3R,4S,5S,6R)-2-(4-allylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol;4-(2-propenyl)phenyl-beta-dextro-glucopyranoside;CHAVICOL 1-O-BETA-D-GLUCOPYRANOSIDE;DTXCID00137527;4-ALLYLPHENYL BETA-D-GLUCOPYRANOSIDE;

标识符

InChIKey:
BGWWYZXBGAKMRB-UXXRCYHCSA-N
Inchi:
1S/C15H20O6/c1-2-3-9-4-6-10(7-5-9)20-15-14(19)13(18)12(17)11(8-16)21-15/h2,4-7,11-19H,1,3,8H2/t11-,12-,13+,14-,15-/m1/s1
SMILES:
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1C=CC(CC=C)=CC=1

1-O-β-D-吡喃葡萄糖基-4-烯丙基苯(64703-98-6)物化性质

计算特性

  • 精确分子量 : 296.12598835g/mol
  • 氢键供体数量 : 4
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 5
  • 同位素质量 : 296.12598835g/mol
  • 重原子数量 : 21
  • 复杂度 : 328
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 5
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.2
  • 拓扑分子极性表面积 : 99.4Ų

1-O-β-D-吡喃葡萄糖基-4-烯丙基苯(64703-98-6)推荐厂家 更多厂家(4)